2-[[4-azanyl-5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidin-2-yl]amino]ethanol

Systemtic Name: 2-[[4-azanyl-5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[4-amino-6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[4-amino-5-nitro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-amino-6-(4-benzylpiperazin-4-ium-1-yl)-5-nitropyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[4-amino-6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanol Formula: C17H24N7O3+ MolecularWeight: 374.41756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCO)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCO)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O3/c18-15-14(24(26)27)16(21-17(20-15)19-6-11-25)23-9-7-22(8-10-23)12-13-4-2-1-3-5-13/h1-5,25H,6-12H2,(H3,18,19,20,21)/p+1